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Fluorenonophane chloro-benzene solvate: mol-ecular and crystal structures.

ABSTRACT: The title compound, 1⁹ H,7⁹ H-3,5,9,11-tetra-oxa-1,7(2,7)-difluorena-4,10(1,3)-dibenzena-cyclo-dodeca-phane-1⁹,7⁹-dione (fluorenonophane), exists as a solvate with chloro-benzene, C₄₂H₂₈O₆·C₆H₅Cl. The fluorenonophane contains two fluorenone fragments linked by two m-substituted benzene fragments. Some decrease in its macrocyclic cavity leads to a stacking inter-action between the tricyclic fluorenone fragments. In the crystal, the fluorenonophane and chloro-benzene mol-ecules are linked by weak C-H⋯π(ring) inter-actions and C-H⋯Cl hydrogen bonds. The Cl atom of chloro-benzene does not form a halogen bond. A Hirshfeld surface analysis and two-dimensional fingerprint plots were used to analyse the inter-molecular contacts found in the crystal structure.

SUBMITTER: Dyakonenko VV

PROVIDER: S-EPMC8647744 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature

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Fluorenonophane chloro-benzene solvate: mol-ecular and crystal structures.

Dyakonenko Viktoriya V VV Shishkina Svitlana V SV Bogashchenko Tatiana Yu TY Lyapunov Alexander Yu AY Kirichenko Tatiana I TI

Acta crystallographica. Section E, Crystallographic communications 20211112 Pt 12

The title compound, 19 H,79 H-3,5,9,11-tetra-oxa-1,7(2,7)-difluorena-4,10(1,3)-dibenzena-cyclo-dodeca-phane-19,79-dione (fluorenonophane), exists as a solvate with chloro-benzene, C42H28O6·C6H5Cl. The fluorenonophane contains two fluorenone fragments linked by two m-substituted benzene fragments. Some decrease in its macrocyclic cavity leads to a stacking inter-action between t ...[more]

PMID: 34925899

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